N-[(4R)-4-(dichloromethyl)-2-methylsulfanyl-5-oxo-1H-imidazol-4-yl]benzamide

C12H11Cl2N3O2S — CID 98168463

IUPACN-[(4R)-4-(dichloromethyl)-2-methylsulfanyl-5-oxo-1H-imidazol-4-yl]benzamide
SMILESCSC1=N[C@@](NC(=O)c2ccccc2)(C(Cl)Cl)C(=O)N1
InChIInChI=1S/C12H11Cl2N3O2S/c1-20-11-15-10(19)12(17-11,9(13)14)16-8(18)7-5-3-2-4-6-7/h2-6,9H,1H3,(H,16,18)(H,15,17,19)/t12-/m0/s1
InChIKeyBQABDLYFXSYVFA-LBPRGKRZSA-N
MW332.21 g/mol
LogP1.77
Rot. Bonds3

About N-[(4R)-4-(dichloromethyl)-2-methylsulfanyl-5-oxo-1H-imidazol-4-yl]benzamide

N-[(4R)-4-(dichloromethyl)-2-methylsulfanyl-5-oxo-1H-imidazol-4-yl]benzamide (PubChem CID 98168463) has the molecular formula C12H11Cl2N3O2S and a molecular weight of 332.21 g/mol. Its IUPAC name is N-[(4R)-4-(dichloromethyl)-2-methylsulfanyl-5-oxo-1H-imidazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[(4R)-4-(dichloromethyl)-2-methylsulfanyl-5-oxo-1H-imidazol-4-yl]benzamide
PubChem CID98168463
Molecular FormulaC12H11Cl2N3O2S
Molecular Weight332.21 g/mol
Exact Mass330.99
IUPAC NameN-[(4R)-4-(dichloromethyl)-2-methylsulfanyl-5-oxo-1H-imidazol-4-yl]benzamide
SMILESCSC1=N[C@@](NC(=O)c2ccccc2)(C(Cl)Cl)C(=O)N1
InChIInChI=1S/C12H11Cl2N3O2S/c1-20-11-15-10(19)12(17-11,9(13)14)16-8(18)7-5-3-2-4-6-7/h2-6,9H,1H3,(H,16,18)(H,15,17,19)/t12-/m0/s1
InChIKeyBQABDLYFXSYVFA-LBPRGKRZSA-N
XLogP1.77
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(4R)-2-amino-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]benzamide
CID 98209137
N-[(4R)-4-(dichloromethyl)-2-(4-methylphenyl)-5-oxo-1H-imidazol-4-yl]benzamide
CID 98209179
N-[(4S)-4-(dichloromethyl)-2-methylsulfonyl-5-oxo-1H-imidazol-4-yl]benzamide
CID 98207075
N-[(4R)-4-(dichloromethyl)-5-oxo-2-phenyl-1H-imidazol-4-yl]-4-fluorobenzamide
CID 98310543
N-[(4S)-4-(dichloromethyl)-5-oxo-2-phenyl-1H-imidazol-4-yl]-4-fluorobenzamide
CID 98310542
N-[2-acetamido-4-(dichloromethyl)-5-oxo-1H-imidazol-4-yl]-4-methylbenzamide
CID 51065050
N-[(4R)-5-amino-4-(dichloromethyl)-2-methylsulfonylimidazol-4-yl]benzamide
CID 98209154
N-[2,2-dichloro-1-(methylamino)ethyl]benzamide
CID 10868605
N-methylbenzamide
CID 11954
N-(6-oxo-4-sulfanyl-1H-pyrimidin-5-yl)benzamide
CID 45086799
[1-benzamido-2,2-bis(methylsulfanyl)ethenyl]-triphenylphosphanium
CID 3090277
N-tribenzamidosilylbenzamide
CID 175170799

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-(dichloromethyl)-2-methylsulfanyl-5-oxo-1H-imidazol-4-yl]benzamide?
The IUPAC name of N-[(4R)-4-(dichloromethyl)-2-methylsulfanyl-5-oxo-1H-imidazol-4-yl]benzamide (CID 98168463) is N-[(4R)-4-(dichloromethyl)-2-methylsulfanyl-5-oxo-1H-imidazol-4-yl]benzamide.
What is the SMILES notation for N-[(4R)-4-(dichloromethyl)-2-methylsulfanyl-5-oxo-1H-imidazol-4-yl]benzamide?
The canonical SMILES for N-[(4R)-4-(dichloromethyl)-2-methylsulfanyl-5-oxo-1H-imidazol-4-yl]benzamide is CSC1=N[C@@](NC(=O)c2ccccc2)(C(Cl)Cl)C(=O)N1.
What is the InChIKey of N-[(4R)-4-(dichloromethyl)-2-methylsulfanyl-5-oxo-1H-imidazol-4-yl]benzamide?
The InChIKey is BQABDLYFXSYVFA-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2S/c1-20-11-15-10(19)12(17-11,9(13)14)16-8(18)7-5-3-2-4-6-7/h2-6,9H,1H3,(H,16,18)(H,15,17,19)/t12-/m0/s1.
What are the key properties of N-[(4R)-4-(dichloromethyl)-2-methylsulfanyl-5-oxo-1H-imidazol-4-yl]benzamide?
N-[(4R)-4-(dichloromethyl)-2-methylsulfanyl-5-oxo-1H-imidazol-4-yl]benzamide has a molecular weight of 332.21 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-4-(dichloromethyl)-2-methylsulfanyl-5-oxo-1H-imidazol-4-yl]benzamide is sourced from PubChem (CID 98168463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).